Found 74 hits with Last Name = 'alex brown' and Initial = 'h' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Phospholipase D1
(Homo sapiens (Human)) | BDBM50507325
(CHEMBL4453586)Show SMILES C[C@@H](CN1CCC2(CC1)[C@@H](CNC2=O)c1ccc(F)cc1)NC(=O)c1cc2ccccc2[nH]1 |r| Show InChI InChI=1S/C26H29FN4O2/c1-17(29-24(32)23-14-19-4-2-3-5-22(19)30-23)16-31-12-10-26(11-13-31)21(15-28-25(26)33)18-6-8-20(27)9-7-18/h2-9,14,17,21,30H,10-13,15-16H2,1H3,(H,28,33)(H,29,32)/t17-,21-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of PLD1 in human Calu1 cells |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair | |
Phospholipase D2
(Homo sapiens (Human)) | BDBM50507332
(CHEMBL4475943)Show SMILES Fc1ccc(cc1)[C@@H]1CNC(=O)C11CCN(CCNC(=O)c2cc3ccccc3[nH]2)CC1 |r| Show InChI InChI=1S/C25H27FN4O2/c26-19-7-5-17(6-8-19)20-16-28-24(32)25(20)9-12-30(13-10-25)14-11-27-23(31)22-15-18-3-1-2-4-21(18)29-22/h1-8,15,20,29H,9-14,16H2,(H,27,31)(H,28,32)/t20-/m0/s1 | PDB
Reactome pathway
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of GFP-fused PLD2 (unknown origin) expressed in HEK293 cells by cellular assay |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair | |
Phospholipase D1
(Homo sapiens (Human)) | BDBM50257541
((1R,2R)-N-([S]-1-{4-[5-bromo-2-oxo-2,3-dihydro-1H-...)Show SMILES C[C@@H](CN1CCC(CC1)n1c2ccc(Br)cc2[nH]c1=O)NC(=O)[C@@H]1C[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C25H29BrN4O2/c1-16(27-24(31)21-14-20(21)17-5-3-2-4-6-17)15-29-11-9-19(10-12-29)30-23-8-7-18(26)13-22(23)28-25(30)32/h2-8,13,16,19-21H,9-12,14-15H2,1H3,(H,27,31)(H,28,32)/t16-,20-,21+/m0/s1 | PDB
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CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of PLD1 (unknown origin) |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair | |
Phospholipase D1
(Homo sapiens (Human)) | BDBM154517
(ML299 (5))Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C23H26BrFN4O2/c1-16(27-21(30)17-5-7-18(24)8-6-17)14-28-11-9-23(10-12-28)22(31)26-15-29(23)20-4-2-3-19(25)13-20/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,31)(H,27,30)/t16-/m0/s1 | PDB
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PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of PLD1 (unknown origin) |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair | |
Phospholipase D2
(Homo sapiens (Human)) | BDBM50507325
(CHEMBL4453586)Show SMILES C[C@@H](CN1CCC2(CC1)[C@@H](CNC2=O)c1ccc(F)cc1)NC(=O)c1cc2ccccc2[nH]1 |r| Show InChI InChI=1S/C26H29FN4O2/c1-17(29-24(32)23-14-19-4-2-3-5-22(19)30-23)16-31-12-10-26(11-13-31)21(15-28-25(26)33)18-6-8-20(27)9-7-18/h2-9,14,17,21,30H,10-13,15-16H2,1H3,(H,28,33)(H,29,32)/t17-,21-/m0/s1 | PDB
Reactome pathway
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of GFP-fused PLD2 (unknown origin) expressed in HEK293 cells by cellular assay |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair | |
Phospholipase D1
(Homo sapiens (Human)) | BDBM50507327
(CHEMBL4514153)Show SMILES C[C@@H](CN1CCC2(CC1)[C@@H](CNC2=O)c1ccc(F)cc1)NC(=O)C#Cc1ccccc1 |r| Show InChI InChI=1S/C26H28FN3O2/c1-19(29-24(31)12-7-20-5-3-2-4-6-20)18-30-15-13-26(14-16-30)23(17-28-25(26)32)21-8-10-22(27)11-9-21/h2-6,8-11,19,23H,13-18H2,1H3,(H,28,32)(H,29,31)/t19-,23-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of PLD1 in human Calu1 cells |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair | |
Phospholipase D1
(Homo sapiens (Human)) | BDBM50507322
(CHEMBL4448918)Show SMILES C[C@@H](CN1CCC2(CC1)[C@H](CNC2=O)c1ccc(F)cc1)NC(=O)c1cc2ccccc2[nH]1 |r| Show InChI InChI=1S/C26H29FN4O2/c1-17(29-24(32)23-14-19-4-2-3-5-22(19)30-23)16-31-12-10-26(11-13-31)21(15-28-25(26)33)18-6-8-20(27)9-7-18/h2-9,14,17,21,30H,10-13,15-16H2,1H3,(H,28,33)(H,29,32)/t17-,21+/m0/s1 | PDB
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of PLD1 in human Calu1 cells |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair | |
Phospholipase D2
(Homo sapiens (Human)) | BDBM87120
(CHEMBL1254577 | N-[2-[1-(3-fluorophenyl)-4-keto-1,...)Show SMILES Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C26H27FN4O2/c27-22-6-3-7-23(17-22)31-18-29-25(33)26(31)10-13-30(14-11-26)15-12-28-24(32)21-9-8-19-4-1-2-5-20(19)16-21/h1-9,16-17H,10-15,18H2,(H,28,32)(H,29,33) | PDB
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PC cid
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| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of PLD2 (unknown origin) |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair | |
Phospholipase D2
(Homo sapiens (Human)) | BDBM154517
(ML299 (5))Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C23H26BrFN4O2/c1-16(27-21(30)17-5-7-18(24)8-6-17)14-28-11-9-23(10-12-28)22(31)26-15-29(23)20-4-2-3-19(25)13-20/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,31)(H,27,30)/t16-/m0/s1 | PDB
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PC cid
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| PDB
Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of PLD2 (unknown origin) |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Phospholipase D1
(Homo sapiens (Human)) | BDBM50206160
(CHEMBL245621 | Halopemide | Halopemide, 8 | N-(2-(...)Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O Show InChI InChI=1S/C21H22ClFN4O2/c22-15-3-6-19-18(13-15)25-21(29)27(19)17-7-10-26(11-8-17)12-9-24-20(28)14-1-4-16(23)5-2-14/h1-6,13,17H,7-12H2,(H,24,28)(H,25,29) | PDB
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| Article
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of PLD1 (unknown origin) |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair | |
Phospholipase D1
(Homo sapiens (Human)) | BDBM50507332
(CHEMBL4475943)Show SMILES Fc1ccc(cc1)[C@@H]1CNC(=O)C11CCN(CCNC(=O)c2cc3ccccc3[nH]2)CC1 |r| Show InChI InChI=1S/C25H27FN4O2/c26-19-7-5-17(6-8-19)20-16-28-24(32)25(20)9-12-30(13-10-25)14-11-27-23(31)22-15-18-3-1-2-4-21(18)29-22/h1-8,15,20,29H,9-14,16H2,(H,27,31)(H,28,32)/t20-/m0/s1 | PDB
KEGG
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| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of PLD1 in human Calu1 cells |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair | |
Phospholipase D1
(Homo sapiens (Human)) | BDBM50278141
((S)-N-(1-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec...)Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1ccccc1)NC(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C27H30N4O2/c1-20(29-25(32)23-12-11-21-7-5-6-8-22(21)17-23)18-30-15-13-27(14-16-30)26(33)28-19-31(27)24-9-3-2-4-10-24/h2-12,17,20H,13-16,18-19H2,1H3,(H,28,33)(H,29,32)/t20-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Inhibition of PLD1 in human Calu1 cells |
Bioorg Med Chem Lett 19: 2240-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.125
BindingDB Entry DOI: 10.7270/Q2F76CG5 |
More data for this
Ligand-Target Pair | |
Phospholipase D1
(Homo sapiens (Human)) | BDBM50507324
(CHEMBL4570440)Show SMILES C[C@@H](CN1CCC2(CC1)[C@@H](CNC2=O)c1ccc(F)cc1)NC(=O)c1cnc2ccccc2c1 |r| Show InChI InChI=1S/C27H29FN4O2/c1-18(31-25(33)21-14-20-4-2-3-5-24(20)29-15-21)17-32-12-10-27(11-13-32)23(16-30-26(27)34)19-6-8-22(28)9-7-19/h2-9,14-15,18,23H,10-13,16-17H2,1H3,(H,30,34)(H,31,33)/t18-,23-/m0/s1 | PDB
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| PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of PLD1 in human Calu1 cells |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair | |
Phospholipase D2
(Homo sapiens (Human)) | BDBM50507321
(CHEMBL4594070)Show SMILES C[C@@H](CN1CCC2(CC1)[C@@H](CNC2=O)c1ccc(F)cc1)NC(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C28H30FN3O2/c1-19(31-26(33)23-7-6-20-4-2-3-5-22(20)16-23)18-32-14-12-28(13-15-32)25(17-30-27(28)34)21-8-10-24(29)11-9-21/h2-11,16,19,25H,12-15,17-18H2,1H3,(H,30,34)(H,31,33)/t19-,25-/m0/s1 | PDB
Reactome pathway
KEGG
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of GFP-fused PLD2 (unknown origin) expressed in HEK293 cells by cellular assay |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair | |
Phospholipase D2
(Homo sapiens (Human)) | BDBM87188
(CHEMBL471257 | N-[2-(4-keto-1-phenyl-1,3,8-triazas...)Show SMILES O=C(NCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1cc2ccccc2s1 Show InChI InChI=1S/C24H26N4O2S/c29-22(21-16-18-6-4-5-9-20(18)31-21)25-12-15-27-13-10-24(11-14-27)23(30)26-17-28(24)19-7-2-1-3-8-19/h1-9,16H,10-15,17H2,(H,25,29)(H,26,30) | PDB
Reactome pathway
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Inhibition of GFP-labeled PLD2 in human HEK293 cells |
Bioorg Med Chem Lett 19: 2240-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.125
BindingDB Entry DOI: 10.7270/Q2F76CG5 |
More data for this
Ligand-Target Pair | |
Phospholipase D2
(Homo sapiens (Human)) | BDBM50507326
(CHEMBL4436548)Show SMILES Fc1ccc(cc1)[C@H]1CNC(=O)C11CCN(CCNC(=O)c2cc3ccccc3[nH]2)CC1 |r| Show InChI InChI=1S/C25H27FN4O2/c26-19-7-5-17(6-8-19)20-16-28-24(32)25(20)9-12-30(13-10-25)14-11-27-23(31)22-15-18-3-1-2-4-21(18)29-22/h1-8,15,20,29H,9-14,16H2,(H,27,31)(H,28,32)/t20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of GFP-fused PLD2 (unknown origin) expressed in HEK293 cells by cellular assay |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair | |
Phospholipase D2
(Homo sapiens (Human)) | BDBM50507331
(CHEMBL3923136)Show SMILES [H][C@]1(CN=C(O)C11CCN(CCNC(=O)c2cnc3ccccc3c2)CC1)c1ccc(F)cc1 |r,t:3| Show InChI InChI=1S/C26H27FN4O2/c27-21-7-5-18(6-8-21)22-17-30-25(33)26(22)9-12-31(13-10-26)14-11-28-24(32)20-15-19-3-1-2-4-23(19)29-16-20/h1-8,15-16,22H,9-14,17H2,(H,28,32)(H,30,33)/t22-/m0/s1 | PDB
Reactome pathway
KEGG
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of GFP-fused PLD2 (unknown origin) expressed in HEK293 cells by cellular assay |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair | |
Phospholipase D2
(Homo sapiens (Human)) | BDBM50507329
(CHEMBL4515874)Show SMILES Fc1ccc(cc1)[C@@H]1CNC(=O)C11CCN(CCNC(=O)C#Cc2ccccc2)CC1 |r| Show InChI InChI=1S/C25H26FN3O2/c26-21-9-7-20(8-10-21)22-18-28-24(31)25(22)12-15-29(16-13-25)17-14-27-23(30)11-6-19-4-2-1-3-5-19/h1-5,7-10,22H,12-18H2,(H,27,30)(H,28,31)/t22-/m0/s1 | PDB
Reactome pathway
KEGG
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of GFP-fused PLD2 (unknown origin) expressed in HEK293 cells by cellular assay |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair | |
Phospholipase D2
(Homo sapiens (Human)) | BDBM50278138
(CHEMBL471054 | N-(2-(4-oxo-1-phenyl-1,3,8-triazasp...)Show SMILES O=C(NCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc2ccccc2n1 Show InChI InChI=1S/C25H27N5O2/c31-23(22-11-10-19-6-4-5-9-21(19)28-22)26-14-17-29-15-12-25(13-16-29)24(32)27-18-30(25)20-7-2-1-3-8-20/h1-11H,12-18H2,(H,26,31)(H,27,32) | PDB
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| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Inhibition of GFP-labeled PLD2 in human HEK293 cells |
Bioorg Med Chem Lett 19: 2240-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.125
BindingDB Entry DOI: 10.7270/Q2F76CG5 |
More data for this
Ligand-Target Pair | |
Phospholipase D2
(Homo sapiens (Human)) | BDBM50278167
(CHEMBL511475 | N-(2-(4-Oxo-1-phenyl-1,3,8-triazasp...)Show SMILES O=C(NCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc2ccccc2c1 Show InChI InChI=1S/C26H28N4O2/c31-24(22-11-10-20-6-4-5-7-21(20)18-22)27-14-17-29-15-12-26(13-16-29)25(32)28-19-30(26)23-8-2-1-3-9-23/h1-11,18H,12-17,19H2,(H,27,31)(H,28,32) | PDB
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| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Inhibition of GFP-labeled PLD2 in human HEK293 cells |
Bioorg Med Chem Lett 19: 2240-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.125
BindingDB Entry DOI: 10.7270/Q2F76CG5 |
More data for this
Ligand-Target Pair | |
Phospholipase D2
(Homo sapiens (Human)) | BDBM50507324
(CHEMBL4570440)Show SMILES C[C@@H](CN1CCC2(CC1)[C@@H](CNC2=O)c1ccc(F)cc1)NC(=O)c1cnc2ccccc2c1 |r| Show InChI InChI=1S/C27H29FN4O2/c1-18(31-25(33)21-14-20-4-2-3-5-24(20)29-15-21)17-32-12-10-27(11-13-32)23(16-30-26(27)34)19-6-8-22(28)9-7-19/h2-9,14-15,18,23H,10-13,16-17H2,1H3,(H,30,34)(H,31,33)/t18-,23-/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 115 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of GFP-fused PLD2 (unknown origin) expressed in HEK293 cells by cellular assay |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair | |
Phospholipase D2
(Homo sapiens (Human)) | BDBM50507322
(CHEMBL4448918)Show SMILES C[C@@H](CN1CCC2(CC1)[C@H](CNC2=O)c1ccc(F)cc1)NC(=O)c1cc2ccccc2[nH]1 |r| Show InChI InChI=1S/C26H29FN4O2/c1-17(29-24(32)23-14-19-4-2-3-5-22(19)30-23)16-31-12-10-26(11-13-31)21(15-28-25(26)33)18-6-8-20(27)9-7-18/h2-9,14,17,21,30H,10-13,15-16H2,1H3,(H,28,33)(H,29,32)/t17-,21+/m0/s1 | PDB
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| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of GFP-fused PLD2 (unknown origin) expressed in HEK293 cells by cellular assay |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair | |
Phospholipase D2
(Homo sapiens (Human)) | BDBM50278141
((S)-N-(1-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec...)Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1ccccc1)NC(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C27H30N4O2/c1-20(29-25(32)23-12-11-21-7-5-6-8-22(21)17-23)18-30-15-13-27(14-16-30)26(33)28-19-31(27)24-9-3-2-4-10-24/h2-12,17,20H,13-16,18-19H2,1H3,(H,28,33)(H,29,32)/t20-/m0/s1 | PDB
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| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Inhibition of GFP-labeled PLD2 in human HEK293 cells |
Bioorg Med Chem Lett 19: 2240-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.125
BindingDB Entry DOI: 10.7270/Q2F76CG5 |
More data for this
Ligand-Target Pair | |
Phospholipase D1
(Homo sapiens (Human)) | BDBM50278143
((S)-3,4-difluoro-N-(1-(4-oxo-1-phenyl-1,3,8-triaza...)Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1ccccc1)NC(=O)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C23H26F2N4O2/c1-16(27-21(30)17-7-8-19(24)20(25)13-17)14-28-11-9-23(10-12-28)22(31)26-15-29(23)18-5-3-2-4-6-18/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,31)(H,27,30)/t16-/m0/s1 | PDB
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| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Inhibition of PLD1 in human Calu1 cells |
Bioorg Med Chem Lett 19: 2240-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.125
BindingDB Entry DOI: 10.7270/Q2F76CG5 |
More data for this
Ligand-Target Pair | |
Phospholipase D1
(Homo sapiens (Human)) | BDBM87188
(CHEMBL471257 | N-[2-(4-keto-1-phenyl-1,3,8-triazas...)Show SMILES O=C(NCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1cc2ccccc2s1 Show InChI InChI=1S/C24H26N4O2S/c29-22(21-16-18-6-4-5-9-20(18)31-21)25-12-15-27-13-10-24(11-14-27)23(30)26-17-28(24)19-7-2-1-3-8-19/h1-9,16H,10-15,17H2,(H,25,29)(H,26,30) | PDB
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| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Inhibition of PLD1 in human Calu1 cells |
Bioorg Med Chem Lett 19: 2240-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.125
BindingDB Entry DOI: 10.7270/Q2F76CG5 |
More data for this
Ligand-Target Pair | |
Phospholipase D2
(Homo sapiens (Human)) | BDBM50507327
(CHEMBL4514153)Show SMILES C[C@@H](CN1CCC2(CC1)[C@@H](CNC2=O)c1ccc(F)cc1)NC(=O)C#Cc1ccccc1 |r| Show InChI InChI=1S/C26H28FN3O2/c1-19(29-24(31)12-7-20-5-3-2-4-6-20)18-30-15-13-26(14-16-30)23(17-28-25(26)32)21-8-10-22(27)11-9-21/h2-6,8-11,19,23H,13-18H2,1H3,(H,28,32)(H,29,31)/t19-,23-/m0/s1 | PDB
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| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of GFP-fused PLD2 (unknown origin) expressed in HEK293 cells by cellular assay |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair | |
Phospholipase D2
(Homo sapiens (Human)) | BDBM50278143
((S)-3,4-difluoro-N-(1-(4-oxo-1-phenyl-1,3,8-triaza...)Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1ccccc1)NC(=O)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C23H26F2N4O2/c1-16(27-21(30)17-7-8-19(24)20(25)13-17)14-28-11-9-23(10-12-28)22(31)26-15-29(23)18-5-3-2-4-6-18/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,31)(H,27,30)/t16-/m0/s1 | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Inhibition of GFP-labeled PLD2 in human HEK293 cells |
Bioorg Med Chem Lett 19: 2240-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.125
BindingDB Entry DOI: 10.7270/Q2F76CG5 |
More data for this
Ligand-Target Pair | |
Phospholipase D1
(Homo sapiens (Human)) | BDBM179736
(US9127005, P0L)Show SMILES C[C@@H](CN1CCC2(CC1)[C@H](CNC2=O)c1ccc(F)cc1)NC(=O)c1cnc2ccccc2c1 |r| Show InChI InChI=1S/C27H29FN4O2/c1-18(31-25(33)21-14-20-4-2-3-5-24(20)29-15-21)17-32-12-10-27(11-13-32)23(16-30-26(27)34)19-6-8-22(28)9-7-19/h2-9,14-15,18,23H,10-13,16-17H2,1H3,(H,30,34)(H,31,33)/t18-,23+/m0/s1 | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of PLD1 in human Calu1 cells |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair | |
Phospholipase D2
(Homo sapiens (Human)) | BDBM50507333
(CHEMBL4581260)Show SMILES C[C@@H](CN1CCC2(CC1)[C@@H](CNC2=O)c1ccc(F)cc1)NC(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H27F2N3O2/c1-16(28-22(30)18-4-8-20(26)9-5-18)15-29-12-10-24(11-13-29)21(14-27-23(24)31)17-2-6-19(25)7-3-17/h2-9,16,21H,10-15H2,1H3,(H,27,31)(H,28,30)/t16-,21-/m0/s1 | PDB
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| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of GFP-fused PLD2 (unknown origin) expressed in HEK293 cells by cellular assay |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair | |
Phospholipase D2
(Homo sapiens (Human)) | BDBM50507330
(CHEMBL3983405)Show SMILES [H][C@]1(CN=C(O)C11CCN(CCNC(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 |r,t:3| Show InChI InChI=1S/C23H25F2N3O2/c24-18-5-1-16(2-6-18)20-15-27-22(30)23(20)9-12-28(13-10-23)14-11-26-21(29)17-3-7-19(25)8-4-17/h1-8,20H,9-15H2,(H,26,29)(H,27,30)/t20-/m0/s1 | PDB
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| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of GFP-fused PLD2 (unknown origin) expressed in HEK293 cells by cellular assay |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair | |
Phospholipase D1
(Homo sapiens (Human)) | BDBM50507333
(CHEMBL4581260)Show SMILES C[C@@H](CN1CCC2(CC1)[C@@H](CNC2=O)c1ccc(F)cc1)NC(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H27F2N3O2/c1-16(28-22(30)18-4-8-20(26)9-5-18)15-29-12-10-24(11-13-29)21(14-27-23(24)31)17-2-6-19(25)7-3-17/h2-9,16,21H,10-15H2,1H3,(H,27,31)(H,28,30)/t16-,21-/m0/s1 | PDB
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| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of PLD1 in human Calu1 cells |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair | |
Phospholipase D2
(Homo sapiens (Human)) | BDBM50206160
(CHEMBL245621 | Halopemide | Halopemide, 8 | N-(2-(...)Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O Show InChI InChI=1S/C21H22ClFN4O2/c22-15-3-6-19-18(13-15)25-21(29)27(19)17-7-10-26(11-8-17)12-9-24-20(28)14-1-4-16(23)5-2-14/h1-6,13,17H,7-12H2,(H,24,28)(H,25,29) | PDB
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Article
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of PLD2 (unknown origin) |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phospholipase D1
(Homo sapiens (Human)) | BDBM50507323
(CHEMBL4591820)Show SMILES C[C@@H](CN1CCC2(CC1)[C@H](CNC2=O)c1ccc(F)cc1)NC(=O)C#Cc1ccccc1 |r| Show InChI InChI=1S/C26H28FN3O2/c1-19(29-24(31)12-7-20-5-3-2-4-6-20)18-30-15-13-26(14-16-30)23(17-28-25(26)32)21-8-10-22(27)11-9-21/h2-6,8-11,19,23H,13-18H2,1H3,(H,28,32)(H,29,31)/t19-,23+/m0/s1 | PDB
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| Article
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| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of PLD1 in human Calu1 cells |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair | |
Phospholipase D1
(Homo sapiens (Human)) | BDBM50507326
(CHEMBL4436548)Show SMILES Fc1ccc(cc1)[C@H]1CNC(=O)C11CCN(CCNC(=O)c2cc3ccccc3[nH]2)CC1 |r| Show InChI InChI=1S/C25H27FN4O2/c26-19-7-5-17(6-8-19)20-16-28-24(32)25(20)9-12-30(13-10-25)14-11-27-23(31)22-15-18-3-1-2-4-21(18)29-22/h1-8,15,20,29H,9-14,16H2,(H,27,31)(H,28,32)/t20-/m1/s1 | PDB
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| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of PLD1 in human Calu1 cells |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair | |
Phospholipase D2
(Homo sapiens (Human)) | BDBM87123
(3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...)Show SMILES Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc(F)c(F)c2)CC1 Show InChI InChI=1S/C22H23F3N4O2/c23-16-2-1-3-17(13-16)29-14-27-21(31)22(29)6-9-28(10-7-22)11-8-26-20(30)15-4-5-18(24)19(25)12-15/h1-5,12-13H,6-11,14H2,(H,26,30)(H,27,31) | PDB
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| n/a | n/a | 355 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of PLD2 (unknown origin) |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair | |
Phospholipase D2
(Homo sapiens (Human)) | BDBM154518
(ML395 (6))Show SMILES O=C(NCCN1CCC2(CC1)N(Cc1cccnc1)CNC2=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C26H29N5O2/c32-24(23-8-7-21-5-1-2-6-22(21)16-23)28-12-15-30-13-9-26(10-14-30)25(33)29-19-31(26)18-20-4-3-11-27-17-20/h1-8,11,16-17H,9-10,12-15,18-19H2,(H,28,32)(H,29,33) | PDB
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| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of PLD2 (unknown origin) |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair | |
Phospholipase D2
(Homo sapiens (Human)) | BDBM179741
(US9127005, CTH Racemic mixture | US9127005, P1P)Show SMILES Fc1ccc(cc1)[C@H]1CNC(=O)C11CCN(CCNC(=O)c2cnc3ccccc3c2)CC1 |r| Show InChI InChI=1S/C26H27FN4O2/c27-21-7-5-18(6-8-21)22-17-30-25(33)26(22)9-12-31(13-10-26)14-11-28-24(32)20-15-19-3-1-2-4-23(19)29-16-20/h1-8,15-16,22H,9-14,17H2,(H,28,32)(H,30,33)/t22-/m1/s1 | PDB
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| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of GFP-fused PLD2 (unknown origin) expressed in HEK293 cells by cellular assay |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair | |
Phospholipase D2
(Homo sapiens (Human)) | BDBM50278138
(CHEMBL471054 | N-(2-(4-oxo-1-phenyl-1,3,8-triazasp...)Show SMILES O=C(NCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc2ccccc2n1 Show InChI InChI=1S/C25H27N5O2/c31-23(22-11-10-19-6-4-5-9-21(19)28-22)26-14-17-29-15-12-25(13-16-29)24(32)27-18-30(25)20-7-2-1-3-8-20/h1-11H,12-18H2,(H,26,31)(H,27,32) | PDB
Reactome pathway
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UniChem
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PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Inhibition of PLD2 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 19: 2240-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.125
BindingDB Entry DOI: 10.7270/Q2F76CG5 |
More data for this
Ligand-Target Pair | |
Phospholipase D2
(Homo sapiens (Human)) | BDBM87185
(4-amino-3-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triaz...)Show SMILES COc1cc(ccc1N)C(=O)NCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H29N5O3/c1-31-20-15-17(7-8-19(20)24)21(29)25-11-14-27-12-9-23(10-13-27)22(30)26-16-28(23)18-5-3-2-4-6-18/h2-8,15H,9-14,16,24H2,1H3,(H,25,29)(H,26,30) | PDB
Reactome pathway
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UniChem
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PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Inhibition of GFP-labeled PLD2 in human HEK293 cells |
Bioorg Med Chem Lett 19: 2240-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.125
BindingDB Entry DOI: 10.7270/Q2F76CG5 |
More data for this
Ligand-Target Pair | |
Phospholipase D2
(Homo sapiens (Human)) | BDBM179736
(US9127005, P0L)Show SMILES C[C@@H](CN1CCC2(CC1)[C@H](CNC2=O)c1ccc(F)cc1)NC(=O)c1cnc2ccccc2c1 |r| Show InChI InChI=1S/C27H29FN4O2/c1-18(31-25(33)21-14-20-4-2-3-5-24(20)29-15-21)17-32-12-10-27(11-13-32)23(16-30-26(27)34)19-6-8-22(28)9-7-19/h2-9,14-15,18,23H,10-13,16-17H2,1H3,(H,30,34)(H,31,33)/t18-,23+/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of GFP-fused PLD2 (unknown origin) expressed in HEK293 cells by cellular assay |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair | |
Phospholipase D2
(Homo sapiens (Human)) | BDBM50507328
(CHEMBL4584012)Show SMILES Fc1ccc(cc1)[C@H]1CNC(=O)C11CCN(CCNC(=O)C#Cc2ccccc2)CC1 |r| Show InChI InChI=1S/C25H26FN3O2/c26-21-9-7-20(8-10-21)22-18-28-24(31)25(22)12-15-29(16-13-25)17-14-27-23(30)11-6-19-4-2-1-3-5-19/h1-5,7-10,22H,12-18H2,(H,27,30)(H,28,31)/t22-/m1/s1 | PDB
Reactome pathway
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| Article
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| n/a | n/a | 810 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of GFP-fused PLD2 (unknown origin) expressed in HEK293 cells by cellular assay |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair | |
Phospholipase D1
(Homo sapiens (Human)) | BDBM50507321
(CHEMBL4594070)Show SMILES C[C@@H](CN1CCC2(CC1)[C@@H](CNC2=O)c1ccc(F)cc1)NC(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C28H30FN3O2/c1-19(31-26(33)23-7-6-20-4-2-3-5-22(20)16-23)18-32-14-12-28(13-15-32)25(17-30-27(28)34)21-8-10-24(29)11-9-21/h2-11,16,19,25H,12-15,17-18H2,1H3,(H,30,34)(H,31,33)/t19-,25-/m0/s1 | PDB
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| PC cid
PC sid
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| Article
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| n/a | n/a | 820 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of PLD1 in human Calu1 cells |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair | |
Phospholipase D2
(Homo sapiens (Human)) | BDBM87187
(CHEMBL471258 | N-[2-(4-keto-1-phenyl-1,3,8-triazas...)Show SMILES O=C(NCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)C1CCc2ccccc2C1 Show InChI InChI=1S/C26H32N4O2/c31-24(22-11-10-20-6-4-5-7-21(20)18-22)27-14-17-29-15-12-26(13-16-29)25(32)28-19-30(26)23-8-2-1-3-9-23/h1-9,22H,10-19H2,(H,27,31)(H,28,32) | PDB
Reactome pathway
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UniChem
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PubMed
| n/a | n/a | 990 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Inhibition of GFP-labeled PLD2 in human HEK293 cells |
Bioorg Med Chem Lett 19: 2240-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.125
BindingDB Entry DOI: 10.7270/Q2F76CG5 |
More data for this
Ligand-Target Pair | |
Phospholipase D1
(Homo sapiens (Human)) | BDBM50278167
(CHEMBL511475 | N-(2-(4-Oxo-1-phenyl-1,3,8-triazasp...)Show SMILES O=C(NCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc2ccccc2c1 Show InChI InChI=1S/C26H28N4O2/c31-24(22-11-10-20-6-4-5-7-21(20)18-22)27-14-17-29-15-12-26(13-16-29)25(32)28-19-30(26)23-8-2-1-3-9-23/h1-11,18H,12-17,19H2,(H,27,31)(H,28,32) | PDB
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CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Inhibition of PLD1 in human Calu1 cells |
Bioorg Med Chem Lett 19: 2240-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.125
BindingDB Entry DOI: 10.7270/Q2F76CG5 |
More data for this
Ligand-Target Pair | |
Phospholipase D1
(Homo sapiens (Human)) | BDBM50507329
(CHEMBL4515874)Show SMILES Fc1ccc(cc1)[C@@H]1CNC(=O)C11CCN(CCNC(=O)C#Cc2ccccc2)CC1 |r| Show InChI InChI=1S/C25H26FN3O2/c26-21-9-7-20(8-10-21)22-18-28-24(31)25(22)12-15-29(16-13-25)17-14-27-23(30)11-6-19-4-2-1-3-5-19/h1-5,7-10,22H,12-18H2,(H,27,30)(H,28,31)/t22-/m0/s1 | PDB
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of PLD1 in human Calu1 cells |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair | |
Phospholipase D1
(Homo sapiens (Human)) | BDBM50507331
(CHEMBL3923136)Show SMILES [H][C@]1(CN=C(O)C11CCN(CCNC(=O)c2cnc3ccccc3c2)CC1)c1ccc(F)cc1 |r,t:3| Show InChI InChI=1S/C26H27FN4O2/c27-21-7-5-18(6-8-21)22-17-30-25(33)26(22)9-12-31(13-10-26)14-11-28-24(32)20-15-19-3-1-2-4-23(19)29-16-20/h1-8,15-16,22H,9-14,17H2,(H,28,32)(H,30,33)/t22-/m0/s1 | PDB
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| PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of PLD1 in human Calu1 cells |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair | |
Phospholipase D1
(Homo sapiens (Human)) | BDBM87120
(CHEMBL1254577 | N-[2-[1-(3-fluorophenyl)-4-keto-1,...)Show SMILES Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C26H27FN4O2/c27-22-6-3-7-23(17-22)31-18-29-25(33)26(31)10-13-30(14-11-26)15-12-28-24(32)21-9-8-19-4-1-2-5-20(19)16-21/h1-9,16-17H,10-15,18H2,(H,28,32)(H,29,33) | PDB
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PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of PLD1 (unknown origin) |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair | |
Phospholipase D2
(Homo sapiens (Human)) | BDBM87186
(CHEMBL471055 | N-[2-(4-keto-1-phenyl-1,3,8-triazas...)Show SMILES O=C(NCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)C#Cc1ccccc1 Show InChI InChI=1S/C24H26N4O2/c29-22(12-11-20-7-3-1-4-8-20)25-15-18-27-16-13-24(14-17-27)23(30)26-19-28(24)21-9-5-2-6-10-21/h1-10H,13-19H2,(H,25,29)(H,26,30) | PDB
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UniChem
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PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Inhibition of GFP-labeled PLD2 in human HEK293 cells |
Bioorg Med Chem Lett 19: 2240-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.125
BindingDB Entry DOI: 10.7270/Q2F76CG5 |
More data for this
Ligand-Target Pair | |
Phospholipase D1
(Homo sapiens (Human)) | BDBM179733
(US9127005, NGH)Show SMILES C[C@@H](CN1CCC2(CC1)[C@H](CNC2=O)c1ccc(F)cc1)NC(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H27F2N3O2/c1-16(28-22(30)18-4-8-20(26)9-5-18)15-29-12-10-24(11-13-29)21(14-27-23(24)31)17-2-6-19(25)7-3-17/h2-9,16,21H,10-15H2,1H3,(H,27,31)(H,28,30)/t16-,21+/m0/s1 | PDB
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PC sid
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PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of PLD1 in human Calu1 cells |
Bioorg Med Chem Lett 28: 3670-3673 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.033
BindingDB Entry DOI: 10.7270/Q2HQ436Z |
More data for this
Ligand-Target Pair | |
Phospholipase D1
(Homo sapiens (Human)) | BDBM50278138
(CHEMBL471054 | N-(2-(4-oxo-1-phenyl-1,3,8-triazasp...)Show SMILES O=C(NCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc2ccccc2n1 Show InChI InChI=1S/C25H27N5O2/c31-23(22-11-10-19-6-4-5-9-21(19)28-22)26-14-17-29-15-12-25(13-16-29)24(32)27-18-30(25)20-7-2-1-3-8-20/h1-11H,12-18H2,(H,26,31)(H,27,32) | PDB
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PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Inhibition of PLD1 in human Calu1 cells |
Bioorg Med Chem Lett 19: 2240-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.125
BindingDB Entry DOI: 10.7270/Q2F76CG5 |
More data for this
Ligand-Target Pair | |
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